Chemical ID: 6514725

Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)OCC#N)S2
Chemical ID:
6514725
Name [?]:
2-[4-[[2-(3-chloro-4-methyl-phenyl)amino-4-oxo-thiazol-5-ylidene]methyl]phenoxy]acetonitrile
SMILES [?]:
Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)OCC#N)S2
InChi [?]:
InChI=1/C19H14ClN3O2S/c1-12-2-5-14(11-16(12)20)22-19-23-18(24)17(26-19)10-13-3-6-15(7-4-13)25-9-8-21/h2-7,10-11H,9H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,17,21,4,18,20,24,23,15,6,2,16,5,19,7,14,12,10,8,25,9,11,13,22,26/E:(3,4)(6,7)/rA:26nCCCCCCCClNCNCOCCCCCCCCOCCNS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;t24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0234
Area:599.655
Solvation:-3.968
Coulombic:-40.1018
Bond Count [?]
All:28
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:383.852
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):4.82

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